First-principles study of strain effects on Mn in Si

S. Yabuuchi, E. Ohta, H. Kageshima, A. Taguchi

Research output: Contribution to journalConference article

8 Citations (Scopus)


The effects of strain on Mn impurities in Si were investigated by using first-principles calculations. It is shown that substitutional Mn is stabilized and that the magnetic moment is maintained when a tensile strain is given. This suggests that the tensile strain is effective for improving the crystallinity of epitaxial films. Under high Mn concentration conditions, the substitutional Mn complex can cause a structural change and decrease the lattice constant of the crystal. Thus, the formation of shrinked epitaxial films can cause a structural change related to the substitutional Mn complexes, which might make it impossible to obtain the ferromagnetic property.

Original languageEnglish
Pages (from-to)672-676
Number of pages5
JournalPhysica B: Condensed Matter
Issue number1
Publication statusPublished - 2006 Apr 1
Externally publishedYes
EventProceedings of the 23rd International Conference on Defects in Semiconductors -
Duration: 2005 Jul 242005 Jul 29


  • First-principles calculation
  • Magnetic semiconductor
  • Si
  • Strain

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering

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  • Cite this

    Yabuuchi, S., Ohta, E., Kageshima, H., & Taguchi, A. (2006). First-principles study of strain effects on Mn in Si. Physica B: Condensed Matter, 376-377(1), 672-676.